3-ethoxy-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine

C13H23NOS — CID 64539860

IUPAC3-ethoxy-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine
SMILESCCOC(C)C(Cc1ccc(CC)s1)NC
InChIInChI=1S/C13H23NOS/c1-5-11-7-8-12(16-11)9-13(14-4)10(3)15-6-2/h7-8,10,13-14H,5-6,9H2,1-4H3
InChIKeyFWGCUFKBFOOFQH-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.87
Rot. Bonds7

About 3-ethoxy-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine

3-ethoxy-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine (PubChem CID 64539860) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 3-ethoxy-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine
PubChem CID64539860
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name3-ethoxy-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine
SMILESCCOC(C)C(Cc1ccc(CC)s1)NC
InChIInChI=1S/C13H23NOS/c1-5-11-7-8-12(16-11)9-13(14-4)10(3)15-6-2/h7-8,10,13-14H,5-6,9H2,1-4H3
InChIKeyFWGCUFKBFOOFQH-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine
CID 62600764
2-ethoxy-N-methylhexan-3-amine
CID 64534795
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine
CID 114347916
3-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-2-amine
CID 105373925
4-(2,2-difluoroethoxy)-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine
CID 103149430
2,5-diethylthiophene
CID 521294
3-ethoxy-1-(3-fluorophenyl)-N-methylbutan-2-amine
CID 64532588
1,1-diethoxy-3-(5-ethylthiophen-2-yl)propan-2-one
CID 79495454
5-(5-ethylthiophen-2-yl)pentan-2-amine
CID 64502698
2-(5-ethylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115842301
3-N,3-N,3-triethyl-1-(5-ethylthiophen-2-yl)-2-N-methylpentane-2,3-diamine
CID 79060124
[3-cyclopropyl-1-(5-ethylthiophen-2-yl)butan-2-yl]hydrazine
CID 105296365

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine?
The IUPAC name of 3-ethoxy-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine (CID 64539860) is 3-ethoxy-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine?
The canonical SMILES for 3-ethoxy-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine is CCOC(C)C(Cc1ccc(CC)s1)NC.
What is the InChIKey of 3-ethoxy-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine?
The InChIKey is FWGCUFKBFOOFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-5-11-7-8-12(16-11)9-13(14-4)10(3)15-6-2/h7-8,10,13-14H,5-6,9H2,1-4H3.
What are the key properties of 3-ethoxy-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine?
3-ethoxy-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine has a molecular weight of 241.40 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 64539860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).